3NY0

crystal structure of uree from helicobacter pylori (ni2+ bound form)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 81
  • Norm. En. per Res.: -3.988
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	33.824	-28.8142	5.0098	44	4	0	1410	0	35	25
A-C	0.0	0.0	-1.5638	-1.5638	4	0	0	69	0	0	4
A-D	-22.6739	11.4351	-254.809	-266.0478	71	22	16	10923	0	12	16
B-C	-48.3898	25.8321	-300.469	-323.0267	81	33	15	12692	0	19	21
B-D	0.0	10.9204	-8.2295	2.691	11	2	0	233	0	1	7
C-D	0.0	13.2176	-9.6935	3.5241	28	1	0	431	0	25	18

Interface residues

• A-B: ALA103A, ARG101A, ARG101B, ARG31A, ASN100A, ASN100B, ASP77B, GLU119A, GLU119B, GLU154B, GLU26A, GLU26B, GLU29A, GLU29B, GLU79B, GLU97A, GLY99A, HIS102A, HIS102B, HIS152B, ILE34A, ILE98A, LEU76B, LYS120A, LYS120B, LYS32A, LYS32B, LYS33A, LYS33B, LYS38A, LYS38B, LYS54A, MET150B, PHE118B, PHE28A, PHE28B, PRO121A, PRO121B, PRO151B, SER153B, SER78B, TRP27A, TRP27B, VAL148A
• A-C: ASN100A, ASN100C, HIS102A, HIS102C
• A-D: ALA103A, ALA103D, ALA104A, ALA104D, ALA85A, ALA85D, ALA89A, ALA89D, ALA92A, ALA92D, ARG101A, ARG101D, ARG145A, ARG145D, ASN100A, ASN100D, CYS95A, CYS95D, GLN111A, GLN111D, GLU113A, GLU113D, GLU144A, GLU90A, GLU90D, GLU97A, GLU97D, GLY99A, GLY99D, HIS102A, HIS102D, ILE94A, ILE94D, ILE98A, ILE98D, LEU105A, LEU105D, LEU125A, LEU125D, LEU129A, LEU129D, LEU146A, LEU146D, LEU55A, LEU55D, LYS128A, LYS128D, LYS93A, LYS93D, PHE112A, PHE112D, PHE114A, PHE114D, SER110D, SER149D, SER87A, SER87D, THR116A, THR116D, THR147A, THR147D, TYR107A, TYR107D, TYR96A, TYR96D, VAL148A, VAL148D, VAL88A, VAL88D, VAL91A, VAL91D
• B-C: ALA103B, ALA103C, ALA104B, ALA104C, ALA85B, ALA85C, ALA89B, ALA89C, ALA92B, ALA92C, ARG101B, ARG101C, ARG145B, ARG145C, ARG31C, ASN100B, ASN100C, CYS95B, CYS95C, GLN111B, GLN111C, GLU113C, GLU144C, GLU154B, GLU90B, GLU90C, GLU97B, GLU97C, GLY108C, GLY99B, GLY99C, HIS102B, HIS102C, HIS152B, ILE94B, ILE94C, ILE98B, ILE98C, LEU105B, LEU105C, LEU125B, LEU125C, LEU126B, LEU129B, LEU129C, LEU146B, LEU146C, LEU55B, LYS128B, LYS128C, LYS54B, LYS54C, LYS93B, LYS93C, MET150B, PHE112B, PHE112C, PHE114B, PHE114C, PRO121C, PRO151B, SER149B, SER149C, SER153B, SER87B, SER87C, THR116B, THR116C, THR147B, THR147C, TYR106C, TYR107B, TYR107C, TYR96B, TYR96C, VAL148B, VAL148C, VAL88B, VAL88C, VAL91B, VAL91C
• B-D: ASN100B, ASN100D, GLY99D, HIS102B, HIS102D, HIS152B, LYS120D, LYS128B, PRO151B, SER149D, SER153B
• C-D: ALA35C, ARG101C, ARG101D, ARG36C, ASN100C, ASN100D, GLU26C, GLU26D, GLU29C, GLU29D, GLU79D, GLY42D, HIS102C, HIS102D, ILE34C, LEU76D, LYS120D, LYS32C, LYS32D, LYS33C, LYS38C, LYS38D, PHE28C, PHE28D, PHE37C, PHE37D, PRO121D, SER149C